2-nitro-hexadecan-1,3-diol | 343231-27-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-nitro-hexadecan-1,3-diol
• 英文别名: 2-Nitrohexadecane-1,3-diol
• CAS: 343231-27-6
• 化学式: C₁₆H₃₃NO₄
• 分子量: 303.442
• InChiKey: VYQNHEYORXTNCN-UHFFFAOYSA-N

物化性质

• 沸点：
  450.6±35.0 °C(Predicted)
• 密度：
  1.007±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  21
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  86.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-nitro-hexadecan-1,3-diol 在 氢氧化钾 、 对甲苯磺酸 作用下， 以 丙酮 为溶剂， 生成 2,2-dimethyl-5-hydroxymethyl-5-nitro-4-tridecanyl-1,3-dioxane
  参考文献：
  名称：

  Synthesis of sphinganine analogues modified in the head group

  摘要：

  The synthesis of sphinganine analogues modified in the head group is reported. The target compounds are efficiently prepared by means of the Henry reaction. Synthesis and results of preliminary investigations of the derivatives as potential inhibitors of sphingolipid biosynthesis are presented.

  DOI：

  10.1016/s0040-4020(01)89349-2
• 作为产物：
  描述：

  2-硝基乙醇 、 肉豆蔻醛 在 氢氧化钾 作用下， 生成 2-nitro-hexadecan-1,3-diol
  参考文献：
  名称：

  Synthesis of sphinganine analogues modified in the head group

  摘要：

  The synthesis of sphinganine analogues modified in the head group is reported. The target compounds are efficiently prepared by means of the Henry reaction. Synthesis and results of preliminary investigations of the derivatives as potential inhibitors of sphingolipid biosynthesis are presented.

  DOI：

  10.1016/s0040-4020(01)89349-2

文献信息

• HIRATA HIROHUMI; NAKASATO SATOSHI; HIGUCHI KATSUHIKO; OKIMURA MIYUKI; SHI+, YUKAGAKU, 1980, 29, NO 5, 336-340
  作者：HIRATA HIROHUMI、 NAKASATO SATOSHI、 HIGUCHI KATSUHIKO、 OKIMURA MIYUKI、 SHI+

  DOI：——

  日期：——
• Synthesis of sphinganine analogues modified in the head group
  作者：Thomas Kolter、Gerhild van Echten-Deckert、Konrad Sandhoff

  DOI：10.1016/s0040-4020(01)89349-2

  日期：1994.1

  The synthesis of sphinganine analogues modified in the head group is reported. The target compounds are efficiently prepared by means of the Henry reaction. Synthesis and results of preliminary investigations of the derivatives as potential inhibitors of sphingolipid biosynthesis are presented.